Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameMLS000829697
Molecular formulaC30H29N3O8
IUPAC nametrimethyl (1S,9R,15S)-8-but-2-ynyl-14-(2,5-dimethylfuran-3-carbonyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2,4,6,10,12-pentaene-10,11,15-tricarboxylate
Molecular weight559.575
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP2.8
SynonymsSR-05000001374
CHEMBL1567453
NCGC00162699-01
SR-05000001374-1
HMS2223I22
[ Show all ]
Inchi KeyAAEQYZNWJLCHTR-DHXKCHKJSA-N
Inchi IDInChI=1S/C30H29N3O8/c1-7-8-13-32-20-12-10-9-11-19(20)30-15-21(26(35)38-4)33(25(34)18-14-16(2)41-17(18)3)29(30)31-23(28(37)40-6)22(24(30)32)27(36)39-5/h9-12,14,21,24H,13,15H2,1-6H3/t21-,24-,30-/m0/s1
PubChem CID16759761
ChEMBLCHEMBL1567453
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
145Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417